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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Lasiodiplodin
|
292.40
|
4.7
|
1
|
4
|
55.76
|
1
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R,6S)-5-ethyl-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
430.70
|
8.1
|
2
|
2
|
40.46
|
7
|
|
|
Olitoriusin
|
858.90
|
-3.4
|
10
|
19
|
301.05
|
10
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
858.90
|
-3.4
|
10
|
19
|
301.05
|
10
|
|
|
17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
|
330.50
|
2.9
|
1
|
3
|
54.37
|
1
|
|
|
[17-acetyloxy-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] 2-methylprop-2-enoate
|
700.80
|
5.7
|
1
|
10
|
130.73
|
10
|
|
|
[(1R,3aR,5aR,5bS,7aS,9S,11aS,11bS,13aR,13bR)-11b-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-6-oxo-1-prop-1-en-2-yl-1,2,3,4,5,7,7a,9,10,11,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
618.80
|
8.7
|
3
|
6
|
104.06
|
5
|
|
|
(1R,3aR,5aR,5bS,7aS,9S,11aS,11bS,13aR,13bR)-9,11b-dihydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,7,7a,9,10,11,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-6-one
|
456.70
|
6.8
|
2
|
3
|
57.53
|
1
|
|
|
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-oxo-3-propan-2-yl-3a,4,5,8-tetrahydro-2H-azulen-4-yl] 4-hydroxybenzoate
|
372.50
|
3.2
|
2
|
5
|
83.83
|
4
|
|
|
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 1,3-benzodioxole-5-carboxylate
|
386.50
|
4.7
|
1
|
5
|
64.99
|
4
|
|
|
[(1R,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 3,4-dihydroxybenzoate
|
472.60
|
4.9
|
3
|
7
|
113.29
|
7
|
|
|
7-[(5,7b-dimethyl-2,3,6,7-tetrahydro-1aH-naphtho[1,2-b]oxiren-4-yl)methoxy]-6,8-dimethoxychromen-2-one
|
410.50
|
2.2
|
0
|
6
|
70.43
|
5
|
|
|
(3S,4R,6S,7S,11S,12R)-7,11-dibromo-6-chloro-7,10,10-trimethyl-2-oxadispiro[2.0.54.43]tridecan-12-ol
|
430.60
|
3.9
|
1
|
2
|
32.76
|
0
|
|
|
[(3R,3aR,4S,9bS)-3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] acetate
|
288.34
|
1.6
|
0
|
4
|
52.6
|
2
|
|
|
Strongylophorine-3
|
412.60
|
6.3
|
2
|
4
|
66.76
|
1
|
|
|
(1S,2S,5S,7S,9S,10R,13R,14S)-5,10,14-trimethylspiro[6,16-dioxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-7,5'-cyclohex-2-ene]-1',4',15-trione
|
426.50
|
3.8
|
0
|
5
|
69.67
|
0
|
|
|
(1S,2S,5S,7R,9S,10R,13R,14S)-5,10,14-trimethylspiro[6,16-dioxapentacyclo[12.3.3.01,13.02,10.05,9]icosane-7,5'-cyclohex-2-ene]-1',4',15-trione
|
426.50
|
3.8
|
0
|
5
|
69.67
|
0
|
|
|
Strongylophorine-8
|
428.60
|
4.9
|
3
|
5
|
86.99
|
2
|
|
|
(3R,5aR,5bR,7aS,11aS,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
(3R,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
959.10
|
1.3
|
12
|
19
|
315.21
|
11
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1075.20
|
1
|
13
|
22
|
353.9
|
12
|
|
|
Ilexoside XLVIII
|
811.00
|
3.1
|
9
|
15
|
253.13
|
8
|
|
|
CID 14564502
|
1237.40
|
-1.9
|
16
|
27
|
433.05
|
15
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1221.40
|
-0.7
|
15
|
26
|
412.82
|
14
|
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